2-fluoropyridin-3-ol

• ChemBase ID: 38386
• Molecular Formular: C5H4FNO
• Molecular Mass: 113.0897632
• Monoisotopic Mass: 113.02769197
• SMILES: c1cnc(c(c1)O)F
• Canonical SMILES: Oc1cccnc1F
• InChI: InChI=1S/C5H4FNO/c6-5-4(8)2-1-3-7-5/h1-3,8H
• InChIKey: UEQRKEWMEMJXQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoropyridin-3-ol
• IUPAC Traditional name: 2-fluoropyridin-3-ol
• Synonyms: 2-Fluoro-3-hydroxypyridine; 2-Fluoropyridin-3-ol; 2-Fluoro-3-hydroxypyridine; 2-Fluoro-3-pyridinol; 2-fluoropyridin-3-ol; 2-氟-3-羟基吡啶

Database IDs

• CAS Number: 174669-74-0
• MDL Number: MFCD04112569
• PubChem SID: 161001693
• PubChem CID: 2762785

CALCULATED PROPERTIES

• Acid pKa: 7.6905227
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.98591423
• LogD (pH = 7.4): 0.8142003
• Log P: 0.98864067
• Molar Refractivity: 27.1131 cm^3
• Polarizability: 9.792748 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol
• Apperance: Pale Yellow Solid
• Melting Point: 131-133°C; 131-133°C
• Hydrophobicity(logP): 1.004

Safety Information

• Storage Condition: Refrigerator
• Storage Warning: IRRITANT; Irritant/Store under Argon
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P280G-P305+P351+P338

Product Information

• Purity: 95%; 97%; 98%

DETAILS

Toronto Research Chemicals - F591920

A pyridine derivative used in the preparation of imaging agents for nicotinic α4β2 receptor.

REFERENCES

• Pichika, R. et al.: Nuc. Med. Biol., 33, 295 (2006)
• Dolle, F. et al.: J. Med. Chem., 42, 2251 (2006)